4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol

C14H13N3O2 — CID 143998312

IUPAC4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
SMILESCOc1cccc2[nH]c(Nc3ccc(O)cc3)nc12
InChIInChI=1S/C14H13N3O2/c1-19-12-4-2-3-11-13(12)17-14(16-11)15-9-5-7-10(18)8-6-9/h2-8,18H,1H3,(H2,15,16,17)
InChIKeyCTGRMTHBFFVBQA-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.02
Rot. Bonds3

About 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol

4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol (PubChem CID 143998312) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
PubChem CID143998312
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
SMILESCOc1cccc2[nH]c(Nc3ccc(O)cc3)nc12
InChIInChI=1S/C14H13N3O2/c1-19-12-4-2-3-11-13(12)17-14(16-11)15-9-5-7-10(18)8-6-9/h2-8,18H,1H3,(H2,15,16,17)
InChIKeyCTGRMTHBFFVBQA-UHFFFAOYSA-N
XLogP3.02
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 84618412
N-(4-methoxy-1H-benzimidazol-2-yl)imidazole-1-carbothioamide
CID 170607455
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
1-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxy-1H-benzimidazol-2-yl)thiourea
CID 170607439
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 170607437
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
CID 170579838
4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol
CID 19757768
[2-(methoxycarbonylamino)-1H-benzimidazol-4-yl] 3,4,5-trimethoxybenzoate
CID 10201033
N',4-dimethylpiperazine-1-carbohydrazide;ethane;N-(4-methoxy-1H-benzimidazol-2-yl)methanethioamide
CID 170607425

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol?
The IUPAC name of 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol (CID 143998312) is 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol is COc1cccc2[nH]c(Nc3ccc(O)cc3)nc12.
What is the InChIKey of 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol?
The InChIKey is CTGRMTHBFFVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-12-4-2-3-11-13(12)17-14(16-11)15-9-5-7-10(18)8-6-9/h2-8,18H,1H3,(H2,15,16,17).
What are the key properties of 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol?
4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol has a molecular weight of 255.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol is sourced from PubChem (CID 143998312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).